Cytochrome P450 3A
Target ID: CHEMBL2364675
Organism: Homo sapiens
Type: PROTEIN FAMILY
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| AMPRENAVIR | CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 | Ki: 0.16 nM |  |
| TOPIRAMATE | CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1 | Ki: 250.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [13*][C@@]12OC[C@H]3OC(C)(C)O[C@H]3[C@@H]1OC(C)(C)O2 | 6.6 | 35 |  |
| C1OC2OC[C@H]3OCO[C@H]3[C@@H]2O1 | 6.6 | 35 |  |
| [4*]C[8*] | 6.6 | 35 |  |
| [3*]OS(N)(=O)=O | 6.6 | 35 |  |
| [15*][C@H]1CCOC1 | 9.8 | 19 |  |